Concepedia

Synthesis and detailed spectroscopic characterization of various hydroxy-functionalized fluorescent chalcones: A combined experimental and theoretical study

M. Jagadeesh, M. Lavanya, B. Hari Babu, Kiryong Hong, Rory Ma, Joonghan Kim, Tae Kyu Kim

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 21 citations · 41 references

DOI

Concepts

References

41

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

, , +14

Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

Michelle Francl, William J. Pietro, Warren J. Hehre et al. · The Journal of Chemical Physics · 1982 · 8.2K citations · Full text

, , +16